Geometry & MOs

Info

ID:	170735
PubChem CID:	75271619
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-40.37
Dipole, Da:	7.05
IP(EA), eV:	-9.04(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-ethoxyphenyl)-N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

COCCNC(=O)CSC1=NNC2N1C=CN(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations